2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide

C34H30N4O4S — CID 19246890

About 2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide

2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 19246890) has the molecular formula C34H30N4O4S and a molecular weight of 590.71 g/mol. Its IUPAC name is 2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
• PubChem CID: 19246890
• Molecular Formula: C34H30N4O4S
• Molecular Weight: 590.71 g/mol
• Exact Mass: 590.20
• IUPAC Name: 2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
• SMILES: CC(/C=N\N=C1\S/C(=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2)C(=O)N1Cc1ccco1)=C\c1ccccc1
• InChI: InChI=1S/C34H30N4O4S/c1-24-14-16-28(17-15-24)36-32(39)23-42-30-13-7-6-11-27(30)20-31-33(40)38(22-29-12-8-18-41-29)34(43-31)37-35-21-25(2)19-26-9-4-3-5-10-26/h3-21H,22-23H2,1-2H3,(H,36,39)/b25-19+,31-20-,35-21-,37-34+
• InChIKey: GUKNYWAZNYIJNP-JJTGFTQGSA-N
• XLogP: 7.17
• TPSA: 96.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.71
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide?

The IUPAC name of 2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide (CID 19246890) is 2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide.

What is the SMILES notation for 2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide?

The canonical SMILES for 2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide is CC(/C=N\N=C1\S/C(=C\c2ccccc2OCC(=O)Nc2ccc(C)cc2)C(=O)N1Cc1ccco1)=C\c1ccccc1.

What is the InChIKey of 2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide?

The InChIKey is GUKNYWAZNYIJNP-JJTGFTQGSA-N. The full InChI is InChI=1S/C34H30N4O4S/c1-24-14-16-28(17-15-24)36-32(39)23-42-30-13-7-6-11-27(30)20-31-33(40)38(22-29-12-8-18-41-29)34(43-31)37-35-21-25(2)19-26-9-4-3-5-10-26/h3-21H,22-23H2,1-2H3,(H,36,39)/b25-19+,31-20-,35-21-,37-34+.

What are the key properties of 2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide?

2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 590.71 g/mol, XLogP of 7.17, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(Z)-[(2E)-3-(furan-2-ylmethyl)-2-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 19246890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).